4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-N-phenyl-cyclohexane-1-carbothioamide

Systemtic Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxidanylidene-N-phenyl-cyclohexane-1-carbothioamide Openeye Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxo-N-phenyl-cyclohexanecarbothioamide CAS Name: 4,4-dimethyl-2-[2-(4-morpholin-4-iumyl)ethylimino]-6-oxo-N-phenyl-1-cyclohexanecarbothioamide IUPAC Name: 4,4-dimethyl-2-(2-morpholin-4-ium-4-ylethylimino)-6-oxo-N-phenylcyclohexane-1-carbothioamide Traditional Name: 2-keto-4,4-dimethyl-6-(2-morpholin-4-ium-4-ylethylimino)-N-phenyl-cyclohexanecarbothioamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NCC[NH+]2CCOCC2)C(C(=O)C1)C(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=NCC[NH+]2CCOCC2)C(C(=O)C1)C(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H29N3O2S/c1-21(2)14-17(22-8-9-24-10-12-26-13-11-24)19(18(25)15-21)20(27)23-16-6-4-3-5-7-16/h3-7,19H,8-15H2,1-2H3,(H,23,27)/p+1